6-ethyl-3-(phenylsulfonyl)-4-piperidin-1-yl-quinolin-1-ium

Systemtic Name: 6-ethyl-3-(phenylsulfonyl)-4-piperidin-1-yl-quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethyl-4-(1-piperidyl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethyl-4-(1-piperidinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethyl-4-piperidin-1-ylquinolin-1-ium Traditional Name: 3-besyl-6-ethyl-4-piperidino-quinolin-1-ium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H24N2O2S/c1-2-17-11-12-20-19(15-17)22(24-13-7-4-8-14-24)21(16-23-20)27(25,26)18-9-5-3-6-10-18/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3/p+1